3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione

C15H18N2O2 — CID 64967286

IUPAC3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CCN(C2CC2c2ccccc2)C1=O
InChIInChI=1S/C15H18N2O2/c1-10-15(19)17(8-7-14(18)16-10)13-9-12(13)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,16,18)
InChIKeyJMZUWGNEPIVJEC-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.28
Rot. Bonds2

About 3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione

3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione (PubChem CID 64967286) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione
PubChem CID64967286
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CCN(C2CC2c2ccccc2)C1=O
InChIInChI=1S/C15H18N2O2/c1-10-15(19)17(8-7-14(18)16-10)13-9-12(13)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,16,18)
InChIKeyJMZUWGNEPIVJEC-UHFFFAOYSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione
CID 64967320
3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione
CID 64969237
1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-2-one
CID 11264129
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64958081
1-(2-phenylcyclopropyl)piperazine-2,5-dione
CID 64955530
(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126
3-phenyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64883939
2-(2-phenylcyclopropyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79914120
1-(1,1-dioxothian-4-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64960953
1-(2-fluoroethyl)-3-phenyl-1,4-diazepane-2,5-dione
CID 80697164
1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64965372
1-(2-phenylcyclopropyl)pyrrolidine-2,4-dione
CID 79515896

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione (CID 64967286) is 3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione is CC1NC(=O)CCN(C2CC2c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione?
The InChIKey is JMZUWGNEPIVJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-15(19)17(8-7-14(18)16-10)13-9-12(13)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,16,18).
What are the key properties of 3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione?
3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione has a molecular weight of 258.32 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylcyclopropyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64967286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).